2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine

C27H28F4N2O — CID 68879357

About 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine

2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine (PubChem CID 68879357) has the molecular formula C27H28F4N2O and a molecular weight of 472.53 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine
• PubChem CID: 68879357
• Molecular Formula: C27H28F4N2O
• Molecular Weight: 472.53 g/mol
• Exact Mass: 472.21
• IUPAC Name: 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine
• SMILES: CN1CCC(COCCc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)n2)(c2ccccc2)CC1
• InChI: InChI=1S/C27H28F4N2O/c1-33-14-12-26(13-15-33,21-5-3-2-4-6-21)19-34-16-11-24-17-22(27(29,30)31)18-25(32-24)20-7-9-23(28)10-8-20/h2-10,17-18H,11-16,19H2,1H3
• InChIKey: SBBVPIJHCIVKKX-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 25.36 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	472.53
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?

The IUPAC name of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine (CID 68879357) is 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine.

What is the SMILES notation for 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?

The canonical SMILES for 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine is CN1CCC(COCCc2cc(C(F)(F)F)cc(-c3ccc(F)cc3)n2)(c2ccccc2)CC1.

What is the InChIKey of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?

The InChIKey is SBBVPIJHCIVKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F4N2O/c1-33-14-12-26(13-15-33,21-5-3-2-4-6-21)19-34-16-11-24-17-22(27(29,30)31)18-25(32-24)20-7-9-23(28)10-8-20/h2-10,17-18H,11-16,19H2,1H3.

What are the key properties of 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine?

2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine has a molecular weight of 472.53 g/mol, XLogP of 6.13, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-6-[2-[(1-methyl-4-phenylpiperidin-4-yl)methoxy]ethyl]-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 68879357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).